Reduction potential predictions of some aromatic nitrogen-containing molecules
Author:
Affiliation:
1. Joint Center for Energy Storage Research
2. Argonne National Laboratories
3. Argonne, USA
4. Materials Science Division
5. Argonne National Laboratory
6. Department of Chemical Engineering
7. Massachusetts Institute of Technology
Abstract
A descriptive relationship for computing reduction potentials of selected aromatic nitrogen-containing molecules is developed from their computed orbital energies.
Publisher
Royal Society of Chemistry (RSC)
Subject
General Chemical Engineering,General Chemistry
Link
http://pubs.rsc.org/en/content/articlepdf/2014/RA/C4RA08563A
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